[(1S)-1-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-2-piperazin-1-yl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-1-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-2-piperazin-1-yl-ethyl]-diethyl-azanium Openeye Name: [(1S)-1-(2,4-dihydroxyphenyl)-2-oxo-2-piperazin-1-yl-ethyl]-diethyl-ammonium CAS Name: [(1S)-1-(2,4-dihydroxyphenyl)-2-oxo-2-(1-piperazinyl)ethyl]-diethylammonium IUPAC Name: [(1S)-1-(2,4-dihydroxyphenyl)-2-oxo-2-piperazin-1-ylethyl]-diethylazanium Traditional Name: [(1S)-1-(2,4-dihydroxyphenyl)-2-keto-2-piperazino-ethyl]-diethyl-ammonium Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C1=C(C=C(C=C1)O)O)C(=O)N2CCNCC2

Isomeric SMILES

CC[NH+](CC)[C@@H](C1=C(C=C(C=C1)O)O)C(=O)N2CCNCC2

InChI

InChI=1S/C16H25N3O3/c1-3-18(4-2)15(13-6-5-12(20)11-14(13)21)16(22)19-9-7-17-8-10-19/h5-6,11,15,17,20-21H,3-4,7-10H2,1-2H3/p+1/t15-/m0/s1